C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

umkhiqizo

C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Imininingwane Yezidakamizwa

Inombolo Yokubhalisa ye-CAS

3736-77-4

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 226.19 -
I-Melting Point (Eyokuhlola) 234-235 °C -
Iphoyinti lokubilisa (elibikezelwe) 456.3±55.0 °C Cindezela: 760 Torr
Ukuminyana (Kubikezelwe) 2.01±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr
pKa (Kubikezelwe) 12.55±0.40 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
I-Isomeric SMILES
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
I-InChI
I-InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Ukhiye we-InchI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Amanye Amagama Alesi Sitho
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2] -a]pyrimidin-6-one (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [ 2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]

i-pyrimidin-6-one, 2,3,3a, 9a-tetrahydro-3-hydroxy-2- (hydroxymethyl)-, i-stereoisomer (8CI); 2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil; 2,2′ -Anhydro-1- β -D-arabino-furanosyluracil; 2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil; 2,2' -Anhydrouridine; 2,2' -O-Cyclouridine; I-NSC 157148; O2,2′ -Anhydrouridine; O2,2′ -Cyclouridine; β -D-2′,2-O-Cycloarabinouridine

Izakhiwo Zokuhlola

Izakhiwo ezitholakalayo
I-Optical kanye nokuhlakazeka
Okushisayo

I-Optical kanye ne-Scatering

Impahla Inani Isimo Umthombo
Amandla Ajikelezayo Wamehlo -19 degrees I-solvent: i-Methanol; λ: 589.3 nm; Izinga lokushisa: 26 °C (1) I-CAS

(1) Codington, John F.; Ijenali ye-American Chemical Society, (1961), 83, 5030-1, CAplus

Okushisayo

Impahla Inani Isimo Umthombo
I-Melting Point 250-253 °C   (1) I-CAS
I-Melting Point 246 °C I-solvent: I-Ethanol; Isopropanol (2) I-CAS
I-Melting Point 242-245 °C   (3) I-CAS
I-Melting Point 242-243 °C   (4) I-CAS
I-Melting Point 236-238 °C (dicomp)   (5) I-CAS
I-Melting Point 234 °C   (6) I-CAS
I-Melting Point 234-235 °C   (7) I-CAS
I-Melting Point 233-234 °C (dilika) I-solvent: I-Methanol (8) I-CAS
I-Melting Point Bheka Umbhalo Ogcwele   (9) I-CAS

(1) Lin, Kun-I.; Ijenali ye-Chinese Chemical Society (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus

(2) Takatsuki, Ken-ichi; Ama-Nucleosides, Nucleotides & Nucleic Acids, (2006), 25(7), 719-734, CAplus

(3) U-Wnuk, uStanislaw F.; Ijenali ye-Organic Chemistry, (2002), 67(6), 1816-1819, CAplus

(4) Szlenkier, Maurycy; I-Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus

(5) UMarumoto, uRyuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus

(6) Krizmanic, Irena; I-Tetrahedron, (2003), 59(23), 4047-4057, CAPlus

(7) Brown, DM; Ijenali yeChemical Society, (1958), 3035-8, CAplus

(8) Li, Heting; Synthetic Communications, (2006), 36(14), 1933-1940, CAplus

(9) Codington, John F.; Ijenali ye-American Chemical Society, (1961), 83, 5030-1, CAplus

I-Spectra yokuhlola

I-Spectra iyatholakala
1 H NMR
13 C NMR
IR
I-Spectra iyatholakala
IMisa

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo
Okushisayo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 1.0 pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 10; Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 7.66 pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 pH 3; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 pH 5; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 pH 6; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 pH 7; Izinga lokushisa: 25 °C (1) ACD
Koc 7.66 pH 8; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 7.66 pH 9; Izinga lokushisa: 25 °C (1) ACD
Koc 7.64 pH 10; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 1; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 3; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 5; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 6; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 7; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 8; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 9; Izinga lokushisa: 25 °C (1) ACD
logD -0.91 pH 10; Izinga lokushisa: 25 °C (1) ACD
logP -0.906±0.555 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 4.7 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.7 g/L Amanzi Angakhiqiziwe pH 6.91; Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 0.021 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 6; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 0.021 mol/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.021 mol/L Amanzi Angakhiqiziwe pH 6.91; Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 226.19    
pKa 12.55±0.40 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa -4.68±0.60 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD
I-Vapor Pressure 3.04 x 10-10 Torr Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ukuminyana

Impahla Inani Isimo Umthombo
Ukuminyana 2.01±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 112.3±7.0 cm3/mol Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 3 (1) ACD
H Abamukelayo 7 (1) ACD
H Abanikeli 2 (1) ACD
H Isamba Somnikeli/Umamukeli 9 (1) ACD
logP -0.906±0.555 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 226.19

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani Umthombo Wesimo
Indawo ye-Polar Surface 91.6 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okushisayo

Impahla Inani Isimo Umthombo
Iphuzu elibilayo 456.3±55.0 °C Cindezela: 760 Torr (1) ACD

 

Impahla Inani Isimo Umthombo
I-Enthalpy ye-Vaporization 82.62±6.0 kJ/mol Cindezela: 760 Torr (1) ACD
I-Flash Point 229.8±31.5 °C   (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala
1 H NMR
13 C NMR

Izitatimende Zengozi ye-GHS

Umthombo Wesitatimende Sengozi Yekhodi
H302 Iyingozi uma igwinywe I-European Chemical Agency (ECHA) Classification&Labelling

I-Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, i-European Chemical Agency (ECHA)

Ukuhlelwa Nokufakwa Kwelebula - Izigaba ezaziswe nokulebula - izaziso ezibucayi kakhulu


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